Cas no 111211-64-4 (1,2-Benzenediol, 3-methoxy-, diacetate)
111211-64-4 structure
Product Name:1,2-Benzenediol, 3-methoxy-, diacetate
CAS No:111211-64-4
MF:C11H12O5
MW:224.209983825684
CID:1196839
PubChem ID:71335500
Update Time:2025-04-20
1,2-Benzenediol, 3-methoxy-, diacetate Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol, 3-methoxy-, diacetate
- acetic acid,3-methoxybenzene-1,2-diol
- Acetic acid--3-methoxybenzene-1,2-diol (2/1)
- DTXSID70763453
- 111211-64-4
-
- Inchi： 1S/C11H12O5/c1-7(12)15-10-6-4-5-9(14-3)11(10)16-8(2)13/h4-6H,1-3H3
- InChI Key： LKUFCKMSZCIWEF-UHFFFAOYSA-N
- SMILES： COC1C(OC(=O)C)=C(OC(=O)C)C=CC=1
Computed Properties
- Exact Mass: 224.06846
- Monoisotopic Mass: 260.08960285g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 136
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 124?2
Experimental Properties
- PSA: 61.83
1,2-Benzenediol, 3-methoxy-, diacetate Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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